Geometry & MOs

Info

ID:	33302
PubChem CID:	7885882
Reduced:	O2S2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	415.04829
ΔH_f, kcal/mol:	-32.76
Dipole, Da:	2.88
IP(EA), eV:	-8.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-prop-2-enyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C

DOS

IR

Vibrations